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209003-46-3 | 2-Quinolinecarboxylic acid, 4-bromo-
CAS No: 209003-46-3 Catalog No: AG002K0F MDL No:MFCD08705670
Product Description
Catalog Number:
AG002K0F
Chemical Name:
2-Quinolinecarboxylic acid, 4-bromo-
CAS Number:
209003-46-3
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD08705670
IUPAC Name:
4-bromoquinoline-2-carboxylic acid
InChI:
InChI=1S/C10H6BrNO2/c11-7-5-9(10(13)14)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14)
InChI Key:
DLAHQKXVDUYPHR-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c2c(n1)cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.067g/mol
Monoisotopic Mass:
250.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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